SCHEMBL7208749

SCHEMBL7208749

NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 1/20 0.63
KCNA5 P22460 1/20 0.58
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
KDM1A O60341 3/20 0.57
GAA P10253 1/20 0.57
ACLY P53396 1/20 0.57
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.55
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 2/20 0.55
HPGD P15428 1/20 0.55
NPSR1 Q6W5P4 1/20 0.53
SLC40A1 Q9NP59 1/20 0.51
CCR9 P51686 1/20 0.50
CCR1 P32246 1/20 0.49
CCR2 P41597 1/20 0.49
UQCRB P14927 1/20 0.48
HSD17B2 P37059 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27813043 0.88 PTGES2 (0.55) PTGES2KCNA5MEN1KMT2AKDM1A
SCHEMBL15821833 0.87 MEN1 (0.74) PTGES2KCNA5MEN1KMT2AKDM1A
SCHEMBL1037932 0.86 HSD17B2 (0.66) ALDH1A1KDM4EHPGDCCR9UQCRB
SCHEMBL29531113 0.84 IKBKB (0.60) MEN1KMT2AGAALMNAHTT
SCHEMBL3416851 0.84 KDM4E (0.60) KCNA5MEN1KMT2AGAAACLY
SCHEMBL7588697 0.83 PTGES2 (0.74) PTGES2MEN1KMT2AKDM1AGAA
SCHEMBL14458120 0.83 ELANE (0.56) GAALMNAHTTALDH1A1KDM4E
SCHEMBL15821566 0.81 LMNA (0.67) KCNA5KMT2AGAALMNAMAPT
SCHEMBL4192815 0.81 ALDH1A1 (0.64) KCNA5MEN1KMT2ALMNAALDH1A1
SCHEMBL30547599 0.80 KDM1A (0.64) MEN1KMT2AKDM1AGAAACLY

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187531-A4 MACROPHAGE SCAVENGER RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-05-28 EP claimed
EP-1187531-A1 MACROPHAGE SCAVENGER RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-03-20 EP claimed
WO-2000078145-A1 MACROPHAGE SCAVENGER RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-28 WO claimed